1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine

C15H20BrNO2 — CID 10336477

IUPAC1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine
SMILESCC(N)Cc1c2c(c(Br)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H20BrNO2/c1-9(17)8-12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9H,2-8,17H2,1H3
InChIKeyPDCVVUDZIAVPTI-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.99
Rot. Bonds2

About 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine

1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine (PubChem CID 10336477) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine
PubChem CID10336477
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine
SMILESCC(N)Cc1c2c(c(Br)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H20BrNO2/c1-9(17)8-12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9H,2-8,17H2,1H3
InChIKeyPDCVVUDZIAVPTI-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine (CID 10336477) is 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine is CC(N)Cc1c2c(c(Br)c3c1OCCC3)OCCC2.
What is the InChIKey of 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine?
The InChIKey is PDCVVUDZIAVPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9(17)8-12-10-4-2-7-19-15(10)13(16)11-5-3-6-18-14(11)12/h9H,2-8,17H2,1H3.
What are the key properties of 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine?
1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine has a molecular weight of 326.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-amine is sourced from PubChem (CID 10336477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).